In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2008 | 29 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.81 | 6.43 | -64.14 | 2 | 7 | 1 | 88 | 420.486 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.81 | 3.95 | -25.63 | 1 | 7 | 0 | 87 | 419.478 | 6 | ↓ |